Compound Detail
CHEMBL4577084
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Basic Information
| ChEMBL ID | CHEMBL4577084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDUUXKXXLXWNKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.64
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL4523953 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presenc... | 30769241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30769241 | 10.1016/j.ejmech.2019.01.064 | Inosine-5'-monophosphate dehydrogenase | 3 |
Data from ChEMBL 36 via Core Engine